Compound Detail
CHEMBL4863785
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Basic Information
| ChEMBL ID | CHEMBL4863785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXXCZNKQCAQHPI-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.9
MW (Da)
4.53
ALogP
3
HBA
1
HBD
54.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 630.0 | nM | 6.2 | Inhibition of recombinant human PDE4D (83 to 416 residues) expressed in Escheric... | 33218684 |
| RAW264.7 | IC50 | = | 14800.0 | nM | 4.83 | Anti-inflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS... | 33218684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33218684 | 10.1016/j.ejmech.2020.113004 | RAW264.7 | 2 |
| 33218684 | 10.1016/j.ejmech.2020.113004 | Unchecked | 2 |
| 33218684 | 10.1016/j.ejmech.2020.113004 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine